SCHEMBL10404752

SCHEMBL10404752

CCCOC(=O)CCOC(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.45
MAPT P10636 3/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
LMNA P02545 2/20 0.38
DNM1 Q05193 1/20 0.38
ALDH1A1 P00352 6/20 0.38
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HTR2C P28335 1/20 0.37
NAAA Q02083 1/20 0.36
MAPK1 P28482 1/20 0.36
GLA P06280 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3823248 0.88 DGKA (0.52) DGKAMAPTLMNADNM1ALDH1A1
SCHEMBL3823424 0.85 CYP1A2 (0.47) DGKAMAPTLMNAALDH1A1L3MBTL1
SCHEMBL27646117 0.83 DGKA (0.50) DGKAMAPTADRA2AADRA1ALMNA
SCHEMBL17908803 0.82 DGKA (0.46) DGKAMAPTLMNADNM1ALDH1A1
SCHEMBL17909487 0.82 DGKA (0.46) DGKAMAPTLMNADNM1ALDH1A1
SCHEMBL5635519 0.82 ADRA2A (0.38) DGKAMAPTADRA2AADRA1ADNM1
SCHEMBL5607500 0.81 NAAA (0.38) DGKALMNAALDH1A1NAAAGLA
SCHEMBL2254905 0.80 DGKA (0.47) DGKAMAPTLMNADNM1ALDH1A1
SCHEMBL27625722 0.80 DGKA (0.62) DGKAMAPTLMNADNM1ALDH1A1
SCHEMBL20589 0.79 DGKA (0.58) DGKAMAPTADRA2AADRA1ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4978754-A REACTING B-ALKOXY-SUBSTITUTED CARBOXYLATE WITH CYCLIC AMINE, REMOVING ALCOHOL IN PRESENCE OF BASIC CATALYST MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-12-18 US disclosed
EP-0321256-A2 Process of preparing unsaturated carboxylic acid amides MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-06-21 EP disclosed